methyl 5-tert-butyl-2-(2-methylpropanoyl)-3-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-2-(2-methylpropanoyl)-3-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-tert-butyl-3-hydroxy-2-(2-methylpropanoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-3-hydroxy-2-(2-methyl-1-oxopropyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-3-hydroxy-2-(2-methylpropanoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-3-hydroxy-2-isobutyryl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C13H22N2O4 MolecularWeight: 270.32478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=N1)C(C)(C)C)(C(=O)OC)O

Isomeric SMILES

CC(C)C(=O)N1C(CC(=N1)C(C)(C)C)(C(=O)OC)O

InChI

InChI=1S/C13H22N2O4/c1-8(2)10(16)15-13(18,11(17)19-6)7-9(14-15)12(3,4)5/h8,18H,7H2,1-6H3